2-[6-(1H-benzimidazol-2-ylamino)-4-oxidanylidene-1H-1,3,5-triazin-2-yl]ethanenitrile

Systemtic Name: 2-[6-(1H-benzimidazol-2-ylamino)-4-oxidanylidene-1H-1,3,5-triazin-2-yl]ethanenitrile Openeye Name: 2-[6-(1H-benzimidazol-2-ylamino)-4-oxo-1H-1,3,5-triazin-2-yl]acetonitrile CAS Name: 2-[6-(1H-benzimidazol-2-ylamino)-4-oxo-1H-1,3,5-triazin-2-yl]acetonitrile IUPAC Name: 2-[6-(1H-benzimidazol-2-ylamino)-4-oxo-1H-1,3,5-triazin-2-yl]acetonitrile Traditional Name: 2-[6-(1H-benzimidazol-2-ylamino)-4-keto-1H-s-triazin-2-yl]acetonitrile Formula: C12H9N7O MolecularWeight: 267.24616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC3=NC(=O)N=C(N3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC3=NC(=O)N=C(N3)CC#N

InChI

InChI=1S/C12H9N7O/c13-6-5-9-16-11(19-12(20)17-9)18-10-14-7-3-1-2-4-8(7)15-10/h1-4H,5H2,(H3,14,15,16,17,18,19,20)